CID 71756642

1423029-78-0

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CN(C)C1=C(C(=NC=N1)Cl)CO
InChI
InChI=1S/C7H10ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h4,12H,3H2,1-2H3
InChIKey
ASKHSFWKGLHIAA-UHFFFAOYSA-N
Compound name
[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05124 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.058516 136.5
[M+Na]+ 210.040458 146.2
[M-H]- 186.043964 137.9
[M+NH4]+ 205.085063 154.6
[M+K]+ 226.014398 143.6
[M+H-H2O]+ 170.048500 130.0
[M+HCOO]- 232.049441 154.7
[M+CH3COO]- 246.065091 184.5
[M+Na-2H]- 208.025906 143.1
[M]+ 187.05069142 139.4
[M]- 187.05178858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.